Библиотека института физики им. Л.В. Киренского СО РАН

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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhao M., Xia Z., Molokeev M. S., Ning L., Liu Q.
Заглавие : Temperature and Eu2+-doping induced phase selection in NaAlSiO4 polymorphs and the controlled yellow/blue emission
Место публикации : Chem. Mater.: American Chemical Society, 2017. - Vol. 29, Is. 15. - P.6552-6559. - ISSN 08974756 (ISSN), DOI 10.1021/acs.chemmater.7b02548
Примечания : Cited References: 48. - The present work was supported by the National Natural Science Foundation of China (Grants 91622125 and 51572023 and 11574003), Natural Science Foundations of Beijing (2172036), and Fundamental Research Funds for the Central Universities (FRF-TP-16-002A3). L.N. acknowledges the support from the Special and Excellent Research Fund of Anhui Normal University.
Ключевые слова (''Своб.индексиров.''): chemical modification--coordination reactions--europium--light emitting diodes--photoluminescence--functional properties--high color rendering index--local coordination structures--near ultraviolet excitations--structural transformation--synthesis temperatures--temperature dependent--white light emitting diodes--density functional theory
Аннотация: The union of temperature-dependent phase transition and relating structural transformation via modification of chemical compositions is of fundamental importance for the discovery of new materials or their functional properties optimization. Herein, the synthesis temperature and Eu2+-doping content induced phase selection and variations of the local structures in nepheline, low-carnegieite and high-carnegieite types of NaAlSiO4 polymorphs were studied in detail. The luminescence of Eu2+ in low-carnegieite and nepheline phases shows blue (460 nm) and yellow (540 nm) broad-band emissions, respectively, under near-ultraviolet excitation. The photoluminescence evolution can be triggered by the different synthesis temperatures in relation to the Eu2+-doping concentration, as corroborated by density functional theory calculations on the local coordination structures and corresponding mechanical stabilities in terms of the Debye temperature. The fabricated white light-emitting diode device with high color rendering index demonstrates that the multicolor phosphors from one system provides a new gateway for the photoluminescence tuning. © 2017 American Chemical Society.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Atuchin V. V., Aleksandrovsky A. S., Molokeev M. S., Krylov A. S., Oreshonkov A. S., Zhou D.
Заглавие : Structural and spectroscopic properties of self-activated monoclinic molybdate BaSm2(MoO4)4
Место публикации : J. Alloys Compd.: Elsevier, 2017. - Vol. 729. - P.843-849. - ISSN 09258388 (ISSN), DOI 10.1016/j.jallcom.2017.07.259
Примечания : Cited References: 60. - This work was supported by the National Natural Science Foundation of China (U1632146). The reported study was funded by RFBR according to the research projects 16-52-48010, 16-32-00351, 17-02-00920 and 17-52-53031. Also, the work was supported by (Act 211) the Government of the Russian Federation, contract 02.A03.21.0011, by Project № 0356-2015-0412 of SB RAS Program№II. 2P, and by the Ministry of Education and Science of the Russian Federation (4.1346.2017/PP).
Ключевые слова (''Своб.индексиров.''): coordination--crystal structure--luminescence--raman--sem--synthesis
Аннотация: The crystal structure of new monoclinic molybdate BaSm2(MoO4)4 is refined in monoclinic unit cell C2/m with cell parameters a = 5.29448 Å, b = 12.7232 Å, c = 19.3907 Å, β = 91.2812°, V = 1305.89 Å3. The crystal structure consists of the SmO8 square antiprism joined with each other by the edges forming a 2D layer perpendicular to the c-axis. MoO4 tetrahedra join SmO8 by nodes and also participate in layer formation, and Ba ions are located between these layers. The lattice dynamics is theoretically calculated on the base of the crystal structure data. The Raman spectra are recorded and analyzed in comparison with theoretical calculations. The discrepancy between the experimental and calculated Raman frequencies does not exceed 2 cm−1 for the most of Raman lines. The luminescence spectra of Sm3+ ions, which are positioned in the lowest local symmetry site C1, strongly differ from those detected for another molybdate crystal, β-RbSm(MoO4)2, with the C2 local symmetry. The 4G5/2 → 6H9/2 band is dominating in the BaSm2(MoO4)4 luminescence.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Sterkhova I. V., Lesnikov M. K.
Заглавие : Structure of Barbituratobis(2,2'-Dipyridyl)copper(II) Heptahydrate
Коллективы : Ministry of Education and Science of the Russian Federation [4.7666.2017/BCh]
Место публикации : Russ. J. Coord. Chem. - 2019. - Vol. 45, Is. 8. - P.569-572. - ISSN 1070-3284, DOI 10.1134/S1070328419080037. - ISSN 1608-3318(eISSN)
Примечания : Cited References: 25. - This work was supported by the Ministry of Education and Science of the Russian Federation in the framework of the state task for the Siberian Federal University for 2017-2019 (4.7666.2017/BCh).
Предметные рубрики: IONIC CO-CRYSTALS
BARBITURIC-ACID
COMPLEXES
STATE
Аннотация: The structure of the complex [Cu(Bipy)2(BA)] ∙ 7H2O (I), where Bipy is 2,2'-dipyridyl, and BA2– is the barbituric acid anion (H2BA), is determined (CIF file CCDC no. 1887338). The thermal decomposition and IR spectrum of complex I are studied. The crystals are orthorhombic: a = 26.118(3), b = 27.685(3), c = 15.683(2) Å, V = 11 370(2) Å3, space group Fdd2, Z = 16. The discrete structure of the polar crystal consists of neutral [Cu(Bipy)2(BA)] particles and molecules of crystallisation water . The Cu2+ ion is bound to the N atoms of two bidentate Bipy molecules and the N atom of the BA2− ion at the vertices of the trigonal bipyramid CuN5. Compound I is the first example of the metal complex only with the N-coordinated anions of barbituric acid (BA2−, НBA−). The structure is stabilized by hydrogen bonds O−H∙∙∙O and N−H∙∙∙O to form a three-dimensional network with the π–π interaction between the Bipy molecules. The compound begins to lose water at ~50°С and is completely dehydrated above 200°С.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Smolentsev A. I., Lesnikov M. K.
Заглавие : Structure of tetrakis((1,3-diethyl-2-thiobarbiturato)(butanol-1))dicobalt(II)
Место публикации : Russ. J. Coord. Chem. - 2017. - Vol. 43, Is. 2. - P.82-85. - ISSN 10703284 (ISSN), DOI 10.1134/S1070328417010031
Примечания : Cited References: 21. - This work was carried out at the Siberian Federal University in terms of the state task of the Ministry of Education and Science of the Russian Federation for 2014–2016 (project no. 3049).
Ключевые слова (''Своб.индексиров.''): cobalt(ii)--1,3-diethyl-2-thiobarbituric acid--butanol-1--dimeric complex--structure--ir spectrum
Аннотация: The structure of the dimeric complex [Co2(BuOH)4(Detba)4] (I), where НDetba is 1,3-diethyl-2-thiobarbituric acid, and BuOH is butanol-1, is determined (CIF file CCDC 1475273), and its IR spectrum is studied. The crystals are monoclinic: a = 10.7185(5), b = 21.985(1), c = 12.7235(7) Å, β = 92.196(2)°, V = 2996.1(3) Å3, space group P21/c, Z = 2. The Co2+ ions in compound I are joined in pairs by bridging ligands μ2-Detba–−O,O'. In addition, each of them is linked through the O atoms to one terminal Detba–ion and two BuOH molecules to form a trigonal bipyramid СоО5. Hydrogen bonds O–H···O formed by BuOH and Detba– join the binuclear complexes into an infinite chain. The data of IR spectroscopy are consistent with the results of X-ray diffraction analysis.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Solovyov L. A., Golovnev N. N., Molokeev M. S., Lesnikov M. K.
Заглавие : Bis(μ3-barbiturato−O,O,O′)-(μ2-aqua)- aqua-barium(II): crystal structure, spectroscopic and thermal properties
Место публикации : J. Coord. Chem.: Taylor & Francis, 2017. - Vol. 70, Is. 12. - P.1984-1993. - ISSN 00958972 (ISSN), DOI 10.1080/00958972.2017.1319943
Примечания : Cited References: 21
Ключевые слова (''Своб.индексиров.''): barbituric acid--barium--coordination compound--x-ray diffraction--infrared spectroscopy--thermal analysis
Аннотация: A polymeric coordination compound, [Ba(H2O) 2(Hba)2] (1) (H2ba – barbituric acid, C4H4N2O3), was obtained. The structure of 1 was solved using powder X-ray diffraction methods. The Ba2+ ion in 1 formed a three-capped trigonal prism. The BaO9 polyhedra, connected with each other by the edges and faces, formed a chain. Several 4- and 12-membered cycles due to the bridging μ2-H2O and bridging μ3-Hba– also formed implementing a 3-D polymer structure. The structures of 1 and other thiobarbiturate complexes were compared. The replacement of a S atom by an O atom in the heterocyclic ligand Htba− (thiobarbiturate ion) of the compound Ba(H2O)2(Htba)2 resulted in changes of the coordination number Ba(II) and supramolecular structure. The intermolecular hydrogen bonds O–H⋯O and N–H⋯O formed a 3-D net where pronounced 2-D layers of Hba– ions could be found. A new topological net in 1 was observed. The IR and thermal stability were investigated.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Sterkhova I. V., Lesnikov M. K., Atuchin V. V.
Заглавие : Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability
Место публикации : Polyhedron: Elsevier, 2017. - Vol. 134. - P.120-125. - ISSN 02775387 (ISSN), DOI 10.1016/j.poly.2017.06.002
Примечания : Cited References: 25
Ключевые слова (''Своб.индексиров.''): 1,3-diethyl-2-thiobarbituric acid--complexes--x-ray diffraction--infrared spectroscopy--manganese(ii)
Аннотация: Three new complexes of 1,3-diethyl-thiobarbituric acid (HDetba), barbiturate-bridged 2D Mn(II) polymer [Mn(H2O)2(Detba)2] (1), trinuclear [Mn3(H2O)10(Detba)6] (2) and discrete molecular [Mn(H2O)4(Detba)2]·H2O (3) are synthesized and structurally characterized by the X-ray single crystal technique. In 1–3, the Detba− ions are coordinated to Mn(II) only through O atoms with manganese ions in the octahedral environment. In 1, the Mn(II) ion is coordinated by four μ2 bridge Detba− ions and two terminal H2O molecules. In 2, the Mn1 ion is coordinated by three terminal H2O molecules, two terminal and one μ2 bridge Detba− ion, and Mn2 is connected with two μ2-Detba− ions and four H2O molecules. In 3, the Mn(II) ion is coordinated by two terminal Detba− ions and four terminal H2O molecules. There are intermolecular hydrogen bonds O–H⋯O, O–H⋯S in the structures of 1–3 which form the 3D networks. Structure 2 is stabilized by the π–π interaction. The compounds thermal decomposition comprises dehydration steps and the organic ligand oxidation.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Шаповалов В. В., Шаповалов В. А., Вальков В. И., Службин Ю. А., Дрокина, Тамара Васильевна, Воротынов, Александр Михайлович, Шавров В. Г.
Заглавие : Многоминимумность потенциала кристаллического поля в координационных материалах
Место публикации : Физ. техн. выс. давл. - 2022. - Т. 32, № 2. - С. 52-66. - ISSN 0868-5924
Примечания : Библиогр.: 30
Аннотация: Форма многоминимумного потенциала электрического кристаллического поля в нанокомплексе с магнитным ионом формируется ближайшим окружением иона и имеет несколько эквивалентных минимумов, которые соответствуют кристаллографическим осям комплекса. Для описания спектров электронного парамагнитного резонанса (ЭПР) магнитных ионов используется модель кристаллического поля и формализм спинового гамильтониана. Метод спинового гамильтониана позволяет описать спектр электронного парамагнитного резонанса. Задача теории - получение констант на основе определенной модели кристалла. Задача эксперимента - определение этих констант из вида спектра.The form of a multi-minimum potential of the electrical crystal field in a nanocomplex with a magnetic ion is formed by the nearest environment of the ion and characterized by several equivalent minima that are associated with crystallographic axes of the complex. To describe the spectra of electron paramagnetic resonance of magnetic ions (EPR), the model of crystal and the formalism of spin Hamiltonian is used. The method of spin Hamiltonian allows description of the spectrum of electron paramagnetic resonance. The theory is aimed to calculation of the constants within the frameworks of the determined model of the crystal. The experiment goal is evaluation of these constants on the basis of the spectrum shape.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zou X., Zhang H., Li W., Zheng M., Molokeev M. S., Xia Z., Zheng Y., Li Q., Liu Y., Zhang X., Lei B.
Заглавие : Ultra-wide Vis–NIR Mg2Al4Si5O18:Eu2+,Cr3+ phosphor containing unusual NIR luminescence induced by Cr3+ occupying tetrahedral coordination for hyperspectral imaging
Место публикации : Adv. Opt. Mater. - 2022. - Vol. 10. Is. 19. - Ст.2200882. - ISSN 21951071 (ISSN), DOI 10.1002/adom.202200882
Примечания : Cited References: 48. - The work was supported from the National Natural Science Foundations of China (No. 21671070, 51802101), the Guangdong Basic and Applied Basic Research Foundation (No. 2021A1515012613), the Independent Research and Development Projects of Maoming Laboratory (No. 2021ZZ004), the Key Realm R&D Program of Guangdong Province (No. 2021B0707010003), the Guangdong Provincial Science & Technology Project (No. 2020A1414010046), the Guangzhou Science & Technology Project (No. 202007020005, 202103000059, and 202102020410), the Project of GDUPS (2018) for Prof. Bingfu LEI, the Guangdong Provincial Special Fund for Modern Agriculture Industry Technology Innovation Teams (No. 2021KJ122), and the Natural Science Foundation of Guangdong Province (No. 2022A1515010229, 2018A030310217)
Аннотация: Cr3+-activated broadband near-infrared (NIR) phosphors, featured by the octahedral coordination preference and strong absorption in visible (Vis) region, have great potential application in nondestructive assessment. It is still a challenge to develop Cr3+-doped phosphors with the tetrahedrally coordinated Cr3+ NIR emission behavior and ultra-wide Vis–NIR luminescence. Herein, an unusual NIR-emitting Mg2Al4Si5O18:Cr3+ phosphor offers emission peak at 867 nm with full-width at half-maximum of 237 nm due to preferential occupation of the AlO4 tetrahedra by Cr3+ as demonstrated by structural and optical properties studies. Eu2+–Cr3+ energy transfer is proposed to induce ultra-wide Vis–NIR Mg2Al4Si5O18:Eu2+,Cr3+ phosphors with more efficient NIR emission and lower thermal quenching behavior of Cr3+. The fabricated Vis–NIR phosphor-converted light-emitting diode is expected to be an alternative to halogen lamp in hyperspectral imaging. This work reveals the luminescence behavior of Cr3+ in tetrahedra and demonstrates the application of Mg2Al4Si5O18:Eu2+,Cr3+ phosphor in hyperspectral imaging, which will facilitate further research on NIR and Vis–NIR phosphors.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gao, Huabo, Molokeev M. S., Chen, Qi, Min, Xin, Ma, Bin
Заглавие : Novel AMoO4:Eu3+ (A = Ca and Ba) optical thermometer: Investigation of effect of local ionic coordination environment on optical performance and temperature measurement sensitivity
Место публикации : Ceram. Int. - 2023. - Vol. 49, Is. 16. - P.26803-26810. - ISSN 02728842 (ISSN), DOI 10.1016/j.ceramint.2023.05.217. - ISSN 18733956 (eISSN)
Примечания : Cited References: 52. - The work was supported by the program of Science and Technology International Cooperation Project of Qinghai province (No. 2022-HZ-807) and the National Natural Science Foundation of China (Grant No. 51802172), and was carried out within the framework of the Strategic Academic Leadership Program “Priority-2030′′ for the Siberian Federal University
Аннотация: A range of Eu3+-doped AMoO4 (A = Ca and Ba) phosphors were successfully synthetized, and their crystal structures, optical performance, and temperature measurement sensitivities were investigated in detail. Peak doping concentration of CaMoO4:Eu3+ phosphor was 0.18, while peak doping concentration of BaMoO4:Eu3+ phosphor may be greater than 0.18. Then, temperature-dependent photoluminescence emission spectra of representative CaMoO4:0.09Eu3+ and BaMoO4:0.03Eu3+ phosphors were recorded. CaMoO4:0.09Eu3+ phosphor exhibited abnormal thermal quenching, which was attributed to defects caused by heterovalent substitution of ions and increase in the temperature, and good thermal stability. Finally, the possibility of using both phosphors as optical thermometers was discussed, which exhibited good temperature sensitivity. However, CaMoO4:0.09Eu3+ phosphor exhibited two peak absolute (Sa, 1.28 %K−1 and 1.39 %K−1) and relative sensitivities (Sr, 1.21 %K−1 and 1.20 %K−1). In addition, variation trend of Sr value with temperature was considerably peculiar. Two optimum Sa and Sr values were attributed to abnormal thermal quenching of CaMoO4:0.09Eu3+ phosphor. Peak Sa and Sr values of BaMoO4:0.03Eu3+ phosphor was 12.39 %K−1 and 0.89 %K−1, respectively. In addition, Sa of AMoO4:Eu3+ phosphor was negatively related to Eu3+ central asymmetry, while peak Sr value was more inclined to appropriate ionic central asymmetry.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sukhikh, Taisiya S., Khisamov, Radmir M., Bashirov D. A., Komarov, Vladislav Yu, Molokeev M. S., Ryadun, Alexey A., Benassi E., Konchenko, Sergey N.
Заглавие : Tuning of the coordination and emission properties of 4-amino-2,1,3-benzothiadiazole by introduction of diphenylphosphine group
Коллективы : Russian Science FoundationRussian Science Foundation (RSF) [19-73-00030]; RFBRRussian Foundation for Basic Research (RFBR) [19-52-80003]
Место публикации : Cryst. Growth Des. - 2020. - Vol. 20, Is. 9. - P.5796-5807. - ISSN 1528-7483, DOI 10.1021/acs.cgd.0c00406. - ISSN 1528-7505(eISSN)
Примечания : Cited References: 58. - This work is supported by the Russian Science Foundation (project no. 19-73-00030) and partly by RFBR (viz., powder XRD data processing and determination of the structure of 1. CINF7/INFHINF8/INF using powder XRD) according to the research project no. 19-52-80003. We acknowledge the European Synchrotron Radiation Facility for provision of synchrotron radiation facilities and thank Prof. Andrew N. Fitch. We are grateful to Siberian Supercomputer Centre of Institute of Computational Mathematics and Mathematical Geophysics for computational capability and thank the technical staff of the Institute for the assistance
Предметные рубрики: COMPLEXES
BENZOTHIADIAZOLE
CHEMISTRY
SUBSTITUENTS
LIGANDS
PROGRAM
Аннотация: A novel amino-benzothiadiazole bearing diphenylphosphine groups (L) was designed and synthesized. A number of its coordination compounds of Cu(I) (1·0.75C7H8, 2a,b), Pd(II) (4), and Pt(II) (5) were prepared demonstrating the coordination of L ligand via N and/or P atoms. The reaction with strong Lewis acid Zn(II) resulted in the rearrangement of P—N—P to P–P–N moiety and formation of complex 3. The structures of L, 2–5 were determined by single crystal X-ray (XRD) diffraction, while that of 1·0.75C7H8 was determined by powder XRD analysis. Intermolecular secondary bonding of S···S interactions in the compounds, unusual for benzothiadiazoles, was discussed supported by quantum chemical calculations. Differences in the structures of the compounds cause significant changes of photophysical properties. In particular, the position of the electronic absorption band is featured by the conformation of L, viz., the dihedral angle between the benzothiadiazole unit and the P—N—P moiety, as proved by TD-DFT calculations performed on model molecules. The photophysical properties of the compounds also strongly depend on the coordination mode of L: the presence of a bond between the metal and the N atom of the thiadiazole unit plays an essential role in defining the position of the absorption and emission bands as well as emission lifetime of these compounds. The thermally activated delayed fluorescence and phosphorescence mechanisms in a thermal equilibrium were determined for 1·0.75C7H8. Complex 5 features a broad emission band spanning the entire visible region; moreover, it shows an unusual clear-white luminescence, which remains visible even in the daylight.
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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhou, Guojun, Ding, Jialiang, Jiang, Xingxing, Zhang, Jian, Molokeev M. S., Ren, Qiqiong, Zhou, Jun, Li, Shili, Zhang, Xian-Ming
Заглавие : Coordination units of Mn2+ modulation toward tunable emission in zero-dimensional bromides for white light-emitting diodes
Место публикации : J. Mater. Chem. C. - 2022. - Vol. 10, Is. 6. - P.2095-2102. - ISSN 2050-7526, DOI 10.1039/d1tc05680h. - ISSN 2050-7534(eISSN)
Примечания : Cited References: 57. - The present work was supported by the Natural Science Foundation of China (21871167), the 1331 Project of Shanxi Province and the Postgraduate Innovation Project of Shanxi Normal University (2019XBY018), the Beijing Natural Science Foundation (No. 2214068) and funded by RFBR according to the research project no. 19-52-80003
Предметные рубрики: HALIDE PEROVSKITE NANOCRYSTALS
RECENT PROGRESS
DOPING MN2+
Аннотация: Organic–inorganic metal halides have become a multifunctional platform for manipulating photoluminescence due to highly efficient and tunable emissions, especially for lead-free Mn2+-based halides. Herein, the zero-dimensional (0D) bromides of (C5H14N3)2MnBr4 and (CH6N3)2MnBr4 with different coordination environments were designed and synthesized by a solvent evaporation method. They exhibit green and red broadband emission peaks at 528 nm and 627 nm with high photoluminescence quantum yields of 86.83% and 61.91%, respectively, which are attributed to the d–d transition (4T1(G) → 6A1(S)) of [MnBr4]2− tetrahedral and [Mn3Br12]6− octahedral units. The cases emphasize the effect of organic ligands on the intrinsic emissions of Mn2+ ions, thereby revealing the luminescence mechanism of Mn2+ ions in 0D isolated structures through the Tanabe–Sugano (TS) energy diagram. Thanks to their bright and stable emissions, the fabricated white light-emitting diode (LED) based on (C5H14N3)2MnBr4 and (CH6N3)2MnBr4 provides an outstanding color rendering index (Ra) of 90.8 at a correlated color temperature (CCT) of 3709 K, along with the CIE chromaticity coordinates of (0.3985, 0.3979) and a luminous efficacy of 51.2 lm W−1. This work aims at clarifying the relationship between the coordination units of Mn2+ and tunable emissions, and in particular, proposes a new strategy to explore phosphors excited by blue light for white LEDs.
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Antonova A.B., Chudin O.S., Pavlenko N.I., Sokolenko W.A., Rubaylo A.I., Vasiliev A. D., Semeikin O.V.
Заглавие : Chemistry of vinylidene complexes. XVIII. Synthesis and molecular structure of the novel trinuclear mu(3)-vinylidene complex CpReFePt(mu(3)-C=CHPh)(CO)(6)(PPh(3))
Место публикации : J. Organomet. Chem. - 2009. - Vol. 694, Is. 1. - P.127-130. - ISSN 0022-328X, DOI 10.1016/j.jorganchem.2008.08.037
Примечания : Cited Reference Count: 17. - Гранты: This work was supported by the Council of the Russian Federation President for Support of Young Scientists and Leading Scientific Schools (Project No. NSch-4137.2006.2) and the Krasnoyarsk Regional Science Foundation (Grants 10TS145 and 17G002).Финансирующая организация: Council of the Russian Federation President for Support of Young Scientists and Leading Scientific Schools [NSch-4137.2006.2]; Krasnoyarsk Regional Science Foundation [10TS145, 17G002]
Предметные рубрики: CLUSTERS
CRYSTAL
MNFEPT
Ключевые слова (''Своб.индексиров.''): vinylidene complexes--heterometallic clusters--rhenium--iron--platinum--crystal structure--crystal structure--heterometallic clusters--iron--platinum--rhenium--vinylidene complexes--atomic physics--atoms--bond length--chemical bonds--coordination reactions--crystal structure--iron compounds--nuclear magnetic resonance--nuclear magnetic resonance spectroscopy--platinum--quantum chemistry--rhenium--rhenium compounds--bond angles--co groups--double bonds--fe atoms--heterometallic--heterometallic clusters--pt atoms--trimetallic--vinylidene complexes--x-ray diffractions--platinum compounds
Аннотация: The interaction between Cp(CO)(2)RePt(mu-C=CHPh)(PPh(3))(2) (1) and Fe(2)(CO)(9) afforded the new heterometallic mu(3)-vinylidene cluster CpReFePt(mu(3)-C=CHPh)(CO)(6)(PPh(3)) (2). An X-ray diffraction study shows the complex 2 possesses a trimetallic Re-Fe-Pt chain core. The bond lengths are Re-Fe 2.8221(8), Fe-Pt 2.5813(8) angstrom; the Re center dot center dot center dot Pt distance is 3.3523(7) angstrom; the bond angle Re-Fe-Pt is 76.55(3)degrees. The mu(3)-C=CHPh ligand is eta(1)-bound to the Re and Pt atoms and eta(2)-coordinated to the Fe atom. The C=C bond length is 1.412(4) angstrom. The Pt atom is coordinated by the PPh(3) and CO groups. Complex 2 is characterized by the IR and (1)H, (13)C and (31)P NMR spectra. (C) 2008 Elsevier B.V. All rights reserved.
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Abramova E. V., Sterkhova I. V., Molokeev M. S., Potapov V. A., Amosova S. V.
Заглавие : First coordination compounds of SeBr2 with selenium-containing ligands: X-ray structural determination
Место публикации : Mendeleev Commun.: Elsevier, 2016. - Vol. 26, Is. 6. - P.532-534. - ISSN 09599436 (ISSN), DOI 10.1016/j.mencom.2016.11.025
Примечания : Cited References: 11
Аннотация: The molecular structure of the coordination compounds of SeBr2 with 2,6-dichloro- and 2,6-dibromo-9-selenabicyclo[3.3.1]nonane ligands was determined by X-ray powder diffraction analysis. The complexes have a less dense packing in comparison with that in an isostructural complex of SeCl2 with 2,6-dichloro-9-selenabicyclo[3.3.1]nonane.
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S.
Заглавие : Crystal structure of polymer hexaaqua-hexakis(2-thiobarbiturato)dieuropium(III)
Коллективы : Ministry of Education and Science of the Russian Federation
Место публикации : Russ. J. Coord. Chem.: MAIK Nauka-Interperiodica / Springer, 2014. - Vol. 40, Is. 9. - P.648-652. - ISSN 1070-3284, DOI 10.1134/S1070328414090036. - ISSN 1608-3318
Примечания : Cited References: 17. - This work was supported in the framework of the state program of the Ministry of Education and Science of the Russian Federation for research works of the Siberian Federal University in 2014.
Предметные рубрики: COMPLEXES
2-THIOBARBITURATE
Аннотация: Complex [Eu2(HTBA)6(H2O)6] n (I), where H2TBA is 2-thiobarbituric acid C4H4N2O2S, is synthesized. Its structure is determined by X-ray diffraction analysis (CIF file CCDC 987519). The crystals of complex I are monoclinic: a = 14.1033(4) Å, b = 10.0988(4) Å, c = 15.4061(5) Å, β = 110.003(1)°, V = 2061.9(1) Å3, space group P2/n, Z = 2. All three independent ligands HTBA− are coordinated to Eu3+ through oxygen atoms. Six HTBA− ions (two terminal and four bridging) and two water molecules are coordinated to one of the independent Eu3+ ions. The second Eu3+ ion is bound to four bridging HTBA− ions and four water molecules. The coordination polyhedra are square antiprisms. The bridging HTBA− ions join the antiprisms into layers. The structure is stabilized by numerous hydrogen bonds and the π-π interaction between HTBA−.
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Lykhin A. O., Novikova G. V., Kuzubov A. A., Staloverova N. A., Sarmatova N. I., Varganov S. A., Krasnov P. O.
Заглавие : A complex of ceftriaxone with Pb(II): synthesis, characterization, and antibacterial activity study
Коллективы : RFBR [14-03-31, 170 MOJI_a]
Место публикации : J. Coord. Chem.: Taylor & Francis, 2014. - Vol. 67, Is. 16. - З2783-2794. - ISSN 0095-8972, DOI 10.1080/00958972.2014.938065. - ISSN 1029-0389
Примечания : Cited References: 48. - The reported study was supported by RFBR, research project No. 14-03-31, 170 MOJI_a and Krasnoyarsk regional fund for supporting scientific and technological activities. We thank the Center for Equipment Joint Use of the Siberian Federal University. We are grateful to the HPC Research Departments of Siberian Federal University and Moscow University Supercomputing Center (SKIF MSU "Chebyshev") for the access to the high-performance computer clusters.
Предметные рубрики: BETA-LACTAM ANTIBIOTICS
TERNARY COMPLEX
METAL-COMPLEXES
BASIS-SETS
3 DECADES
RESISTANCE
COPPER(II)
CEPHALOSPORINS
EVOLUTION
1ST-ROW
Ключевые слова (''Своб.индексиров.''): ceftriaxone lead(ii) complex--dft--ir spectroscopy--tga--antibacterial screening
Аннотация: A Pb(II) complex with ceftriaxone (H2Ceftria) antibiotic was synthesized by reaction of ceftriaxone disodium salt (hemi)heptahydrate with lead nitrate in water–ethanol medium. The complex was characterized on the basis of complexometric titration, spectrophotometric and thermogravimetric analyses, capillary electrophoresis, IR, Raman and UV–vis spectroscopies, and density functional theory calculations. Pb(II) is five-coordinate with distorted square pyramidal geometry. The coordination of Ceftria2− to Pb(II) occurs through N and O of the triazine, lactam carbonyl, carboxylate, and amine groups. The antibacterial activity study showed that Klebsiella pneumoniae is resistant to [Pb(Ceftria)]·3H2O. The antibacterial activity of [Pb(Ceftria)]·3H2O against Staphylococcus aureus is reduced compared with ceftriaxone. In contrast, the antibacterial activity of [Pb(Ceftria)]·3H2O against Escherichia coli is 28% higher than that of ceftriaxone antibiotic.
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Golovneva I. I.
Заглавие : The crystal structure of lead(II) 1,3-diethyl-2-thiobarbiturate
Место публикации : Russ. J. Coord. Chem.: MAIK Nauka-Interperiodica / Springer, 2015. - Vol. 41, Is. 5. - P.300-304. - ISSN 1070, DOI 10.1134/S1070328415050012. - ISSN 16083318(eISSN)
Примечания : Cited References:25
Предметные рубрики: HYDROGEN-BOND
COMPLEXES
ACID
2-THIOBARBITURATE
DIFFRACTION
SERIES
Аннотация: The complex [Pb2(DETBA)4] n (I), where HDETBA is 1,3-diethyl-2-thiobarbituric acid (C8H12N2O2S), was obtained and structurally characterized by X-ray diffraction (CIF file CCDC no. 1031501). The crystals of complex I are trigonal: a = 12.9503(3), c = 32.077(1) Å, V = 4658.9(3) Å3, space group R3¯ , Z = 9. One of the crystallographically independent lead ions, Pb(1)2+, is coordinated in an octahedral fashion by six DETBA− ions through the O atoms. The other ion, Pb(2)2+, is coordinated to six DETBA− ions through three O atoms and three S atoms making up a trigonal prism. The polyhedra Pb(1)O6 and Pb(2)O6 are united through bridging DETBA− ions into infinite layers. The ligands are linked by neither intermolecular hydrogen bonds nor π-π interactions.
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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Knyazev Yu.V., Ivanova N. B., Kazak N. V., Platunov M. S., Bezmaternykh L. N., Velikanov D. A., Vasiliev A. D., Ovchinnikov S. G., Yurkin G. Yu.
Заглавие : Crystal structure and magnetic properties of Mn substituted ludwigite Co3O2BO3
Место публикации : J. Magn. Magn. Mater.: Elsevier Science BV, 2012. - Vol. 324, Is. 6. - P.923-927. - ISSN 0304-8853, DOI 10.1016/j.jmmm.2011.07.044
Примечания : Cited References: 15. - The study was supported by the Russian Foundation for Basic Research (Project no. 09-02-00171-a), the Federal Agency for Science and Innovation (Rosnauka) (Project no. MK-5632.2010.2), the Physical Division of the Russian Academy of Science, the program "Strongly Correlated Electrons", Project 2.3.1.
Предметные рубрики: BOND VALENT SUMS
COORDINATION CHEMISTRY
OXIDATION -STATE
O BONDS
COMPLEXES
MANGANESE
COBALT
Ключевые слова (''Своб.индексиров.''): transition metal oxyborate--distinct crystallographic position--spin glass magnetic ordering
Аннотация: The needle shape single crystals Co3−x MnxO2BO3 with ludwigite structure have been prepared. According to the X-ray diffraction data the preferable character of distinct crystallographic positions occupation by Mn ions is established. Magnetization field and temperature dependencies are measured. Paramagnetic Curie temperature value Θ=−100 K points out the predominance of antiferromagnetic interactions. Spin-glass magnetic ordering takes the onset at TN=41 K. The crystallographic and magnetic properties of Co3O2BO3:Mn are compared with the same for the isostructural analogs Co3O2BO3 and CoO2BO3:Fe.
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Vasiliev A. D., Golovnev N. N.
Заглавие : Crystal structure of hexakis(thiourea)-bis((μ-perchlorato-O,O')- (perchlorato-O)-bismuth) diperchlorate
Место публикации : Russ. J. Coordin. Chem. - 2013. - Vol. 39, Is. 2. - P.161-164. - ISSN 1070-3284, DOI 10.1134/S1070328413020097
Ключевые слова (''Своб.индексиров.''): crystallographic data--hydrogen atoms--hydrogen bond networks--ir and raman spectroscopy--space groups--sulfur atoms--atoms--complex networks--hydrogen bonds--raman spectroscopy--single crystals--x ray diffraction--thioureas
Аннотация: The complex[Bi2(Tu)6(ClO4) 4](ClO4)2 (I) (Tu is thiourea) was synthesized and studied by X-ray diffraction. The crystallographic data of I are: a = 14.205(1) A, b = 13.083(1) A, c = 22.078(2) A, ? = 96.182(1), V = 4079.1(7) A3, space group C2/c, Z = 4. The molecule is located on a twofold axis and consists of the binuclear cation [Bi2(Tu)6(ClO4)4]2+ and two outer-sphere anions Cl 4 -. The Bi-S bond lengths are 2.61-2.62 A. For each terminal and bridging ClO 4 - ion, one Bi-O distance varies from 2.744 to 3.048 3.269 structure contains a hydrogen bond network involving all hydrogen atoms. The IR and Raman spectroscopy data confirm the thiourea coordination by the sulfur atom. В© 2013 Pleiades Publishing, Ltd.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Vereshchagin S. N., Atuchin V. V.
Заглавие : Calcium and strontium thiobarbiturates with discrete and polymeric structures
Место публикации : J. Coordinat. Chem.: Taylor & Francis, 2013. - Vol. 66. No. 23. - P.4119–4130. - ISSN 4119-4130, DOI 10.1080/00958972.2013.860450
Ключевые слова (''Своб.индексиров.''): calcium--2-thiobarbituric acid ir--crystal structure--thermal decomposition--strontium--ir spectroscopy
Аннотация: Three new alkaline earth metal complexes, [Ca2(H2O)8(μ2-HTBA-O,O′)2(HTBA-O)2] (1), [Ca(H2O)5(HTBA-O)2]·2H2O (2), and [Sr(H2O)4(μ2-HTBA-O,S)2]n (3) (H2TBA = 2-thiobarbituric acid, C4H4N2O2S), were synthesized and characterized by FT-IR spectroscopy, TG-DSC, and single-crystal and powder X-ray diffraction analysis. The single-crystal X-ray diffraction data revealed that 1 and 2 are discrete structures, whereas 3 is a polymer. In 1 and 2, Ca2+ is seven-coordinate and forms a monocapped trigonal prism. In 1, the prisms are pairwise connected with the assistance of two [μ2-HTBA-O,O′]− ligands. In 3, Sr2+ is coordinated by four monodentate HTBA− via S or O donors and four waters, with the formation of a distorted square antiprism. The antiprisms are connected by μ2-O,S bridging HTBA−. Hydrogen bonding involving coordinated water and π–π interactions plays an important role in construction of the supramolecular 3-D structures in 1–3. Infrared spectroscopic data supported the structural data. The thermal stability of 1–3 decreases in the order 1 2 3. Dehydration of 1–3 was a multi-step process, followed by exothermic oxidative degradation of the 2-thiobarbiturate moiety between 290 and 800 °C.
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Val'kov V. V., Val’kova T. A., Mitskan V. A.
Заглавие : Effect of interstitial Coulomb interaction on the occurrence of a gapless superconducting phase of Hubbard fermions on a triangular lattice
Место публикации : Bull. Russ. Acad. Sci. Phys.: Allerton Press Incorporation, 2016. - Vol. 80, Is. 6. - P.612-615. - ISSN 10628738 (ISSN), DOI 10.3103/S1062873816060393
Примечания : Cited References: 10
Ключевые слова (''Своб.индексиров.''): physics--concentration dependence--coordination sphere--hubbard--nodal points--quantum transitions--superconducting order parameters--superconducting phase--triangular lattice--coulomb interactions
Аннотация: The concentration dependence of the position of nodal points of a superconducting order parameter is investigated using the t–J–V model for a triangular lattice with regard to the exchange and Coulomb interactions in two coordination spheres. The conditions for a topological quantum transition are established. © 2016, Allerton Press, Inc.
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